%nproc=32
%mem=120GB
#p opt freq B3LYP gen pseudo=read empiricaldispersion=GD3 nosymm scf=xqc SCRF=(SMD,solvent=n-Hexane) SCRFDef=AsymmetricIEFPCM

Ag Carbene - Alcane -- PROJECT

0 1
47       4.397282000     -0.947519000     10.709942000
35       7.536379000      0.295254000      5.394745000
35      -1.263798000      0.608505000      8.943656000
35       5.778981000      4.287768000     14.129410000
9        5.719032000     -2.460641000      6.282762000
9        5.349577000     -2.716854000      8.412386000
9        7.365366000     -2.314025000      7.693353000
9        6.938824000      3.250392000      6.096054000
9        6.260431000      3.850559000      8.073554000
9        4.824061000      3.600178000      6.456883000
9       -0.372082000     -1.318278000     11.278606000
9        1.580636000     -1.247921000     12.241456000
9        1.326875000     -2.351951000     10.387563000
9        0.126481000      2.788406000      7.296316000
9        2.253825000      2.651809000      6.867619000
9        1.533714000      4.023299000      8.396823000
9        5.678187000      0.702379000     14.516531000
9        7.605014000      1.486969000     13.887773000
9        6.753526000     -0.243964000     12.878331000
9        4.163095000      5.751907000     11.940845000
9        2.780848000      4.602437000     10.716271000
9        4.671851000      5.284296000      9.880271000
7        5.004787000     -0.049179000      8.569262000
7        4.978133000      1.287823000      8.409680000
7        2.578548000      0.409294000     10.301942000
7        2.690451000      1.457120000      9.468837000
7        5.343575000      1.389433000     11.291118000
7        4.718242000      2.405758000     10.670561000
6        5.817010000     -0.541572000      7.634641000
6        6.347680000      0.498026000      6.848384000
6        5.787981000      1.655146000      7.381108000
6        6.062817000     -2.015729000      7.504711000
6        5.953819000      3.098727000      6.993851000
6        1.311307000     -0.005787000     10.264505000
6        0.569759000      0.785192000      9.367781000
6        1.493071000      1.709879000      8.878373000
6        0.943666000     -1.232706000     11.048569000
6        1.344801000      2.805163000      7.856270000
6        5.761965000      1.851686000     12.465736000
6        5.402855000      3.205694000     12.625753000
6        4.733665000      3.524501000     11.449464000
6        6.455514000      0.951257000     13.440635000
6        4.088836000      4.802366000     10.996332000
5        4.058612000      2.188194000      9.285231000
1        3.880144000      3.222628000      8.750957000

-Ag 0
LANL2DZ
F 1 1.000
1.611 1.000
****
-Br 0
LANL2DZ
P 1 1.000
0.03760 1.000
D 1 1.000
0.43400 1.000
****
-C N H B F 0
6-31G(d,p)
****

Ag Br 0
LANL2DZ





